bis(phenylmethyl) 2-[(1S)-1-(4-bromophenyl)-3-oxidanylidene-propyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1S)-1-(4-bromophenyl)-3-oxidanylidene-propyl]propanedioate Openeye Name: dibenzyl 2-[(1S)-1-(4-bromophenyl)-3-oxo-propyl]propanedioate CAS Name: 2-[(1S)-1-(4-bromophenyl)-3-oxopropyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1S)-1-(4-bromophenyl)-3-oxopropyl]propanedioate Traditional Name: 2-[(1S)-1-(4-bromophenyl)-3-keto-propyl]malonic acid dibenzyl ester Formula: C26H23BrO5 MolecularWeight: 495.36182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(CC=O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C([C@H](CC=O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H23BrO5/c27-22-13-11-21(12-14-22)23(15-16-28)24(25(29)31-17-19-7-3-1-4-8-19)26(30)32-18-20-9-5-2-6-10-20/h1-14,16,23-24H,15,17-18H2/t23-/m1/s1